Execution Time141.87s

Test: UNRES_CSA_local (Passed)
Build: Linux-pgi-MPI GAB (dell15) on 2020-01-06 04:00:59
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6


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Test output
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
--------------------------------------------------------------------------
The library attempted to open the following supporting CUDA libraries, 
but each of them failed.  CUDA-aware support is disabled.
libcuda.so.1: cannot open shared object file: No such file or directory
/usr/lib64/libcuda.so.1: cannot open shared object file: No such file or directory
If you are not interested in CUDA-aware support, then run with 
--mca mpi_cuda_support 0 to suppress this message.  If you are interested
in CUDA-aware support, then try setting LD_LIBRARY_PATH to the location
of libcuda.so.1 to get passed this issue.
--------------------------------------------------------------------------
 Processor            1  out of            4  rank in CG_COMM            1 
  size of CG_COMM            4  size of FG_COMM            1  rank in FG_COMM1 
            0  size of FG_COMM1            1
 Processor            3  out of            4  rank in CG_COMM            3 
  size of CG_COMM            4  size of FG_COMM            1  rank in FG_COMM1 
            0  size of FG_COMM1            1
 Processor            2  out of            4  rank in CG_COMM            2 
 Processor            0  out of            4  rank in CG_COMM            0 
  size of CG_COMM            4  size of FG_COMM            1  rank in FG_COMM1 
  size of CG_COMM            4  size of FG_COMM            1  rank in FG_COMM1 
            0  size of FG_COMM1            1
            0  size of FG_COMM1            1
Inside initializeInside initializeInside initializeInside initialize MPI: node=             3  iseed=                 -12238971
 MPI: node=             1  iseed=                  -6119485
 indpdb=            0  pdbref=  F
 indpdb=            0  pdbref=  F
 Call Read_Bridge.
 ns=            0
 Call Read_Bridge.
 ns=            0
 Processor            3            0            0  ivec_start            1 
  ivec_end           21
 Processor            1            0            0  ivec_start            1 
  ivec_end           21
 MPI: node=             0  iseed=                  -3059742
 MPI: node=             2  iseed=                  -9179228
 indpdb=            0  pdbref=  F
 indpdb=            0  pdbref=  F
 Call Read_Bridge.
 ns=            0
 Call Read_Bridge.
 ns=            0
 Processor            2            0            0  ivec_start            1 
  ivec_end           21
 Processor            0            0            0  ivec_start            1 
  ivec_end           21
 Exitted from make_ranvar nconfr=          100
 FEEDIN: NCONF=          100
[dell15:68021] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:68021] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
 UPDATING            97           97
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 End of minim, proc            1 time     41.13739204406738     
 End of minim, proc            3 time     41.14059400558472     
 End of cycle, master time for            28  iters     41.14462113380432      
 End of minim, proc            2 time     41.15163612365723     
 sec, Eval/s     13178.56344421428     
 UPDATING             3            4
 Exitted from make_ranvar nconfr=          100
 FEEDIN: NCONF=          100
 UPDATING            97           97
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 End of minim, proc            1 time     80.91883587837219     
 End of minim, proc            3 time     80.92178916931152     
 End of cycle, master time for            22  iters     36.37572503089905      
 sec, Eval/s     12107.55248523261     
 End of minim, proc            2 time     80.92613506317139     
 UPDATING             3            4
 Exitted from make_ranvar nconfr=          100
 FEEDIN: NCONF=          100
 UPDATING            97           97
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 End of cycle, master time for            21  iters     39.13615107536316      
 sec, Eval/s     10946.32426104065     
 End of minim, proc            1 time     124.2347018718719     
 End of minim, proc            3 time     124.2346990108490     
 End of minim, proc            2 time     124.2347409725189     
 UPDATING             3            4
 Exitted from make_ranvar nconfr=          100
 FEEDIN: NCONF=          100
 UPDATING            97           97
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 End of minim, proc            1 time     138.1168639659882     
 End of minim, proc            2 time     138.1170549392700     
 End of minim, proc            3 time     138.1314301490784     
 End of cycle, master time for             5  iters     9.568138122558594      
 sec, Eval/s     11305.64782974448     
 UPDATING             3            4
 End of RUN, master time     138.1336271762848      sec, Eval/s  
    11981.64439631936     
CG processor   1 is finishing work.
CG processor   3 is finishing work.
CG processor   0 is finishing work.
CG processor   2 is finishing work.
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Emin=  -200.13486
Emin=  -200.13486
Emin=  -200.13486
Emin=  -200.13486
difference  0  from reference emin -200.13486
difference  0  from reference emin -200.13486
difference  0  from reference emin -200.13486
difference  0  from reference emin -200.13486
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      5204 m      1 rms  2.63 %NC  46.7     ENERGY    -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      6239 m      2 rms  2.38 %NC  46.7     ENERGY    -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM  3 e     19250 m      5 rms  3.48 %NC  46.7     ENERGY    -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM  4 e     52275 m     20 rms  2.40 %NC  46.7     ENERGY    -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     64706 m     50 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     77487 m     78 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     77615 m     79 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e     81297 m     90 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e     85227 m    105 rms  2.46 %NC  46.7     ENERGY    -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e     93504 m    136 rms  2.47 %NC  46.7     ENERGY    -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    107153 m    186 rms  2.62 %NC  46.7     ENERGY    -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    132371 m    256 rms  2.30 %NC  46.7     ENERGY    -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    133903 m    259 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    149678 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    153682 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    161523 m    355 rms  2.32 %NC  46.7     ENERGY    -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    162965 m    358 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    184422 m    429 rms  2.52 %NC  53.3     ENERGY    -1.91122E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    184900 m    431 rms  2.56 %NC  46.7     ENERGY    -1.91440E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    209634 m    499 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    235428 m    588 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    241420 m    609 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    254131 m    644 rms  2.28 %NC  46.7     ENERGY    -1.96995E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    264499 m    689 rms  2.32 %NC  46.7     ENERGY    -1.97713E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    294434 m    792 rms  2.55 %NC  46.7     ENERGY    -1.98938E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    313250 m    862 rms  2.55 %NC  46.7     ENERGY    -1.98939E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    316732 m    881 rms  2.55 %NC  46.7     ENERGY    -1.98940E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    336073 m    953 rms  2.55 %NC  46.7     ENERGY    -1.98940E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    365346 m   1047 rms  2.13 %NC  53.3     ENERGY    -1.99546E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    366115 m   1049 rms  2.13 %NC  53.3     ENERGY    -1.99553E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    386587 m   1122 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    390810 m   1133 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    413596 m   1219 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    507866 m   1555 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    568151 m   1766 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    654871 m   1892 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    970185 m   2806 rms  3.28 %NC  46.7     ENERGY    -1.99796E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    987008 m   2864 rms  3.28 %NC  46.7     ENERGY    -1.99801E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    987191 m   2865 rms  3.28 %NC  46.7     ENERGY    -1.99801E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e    993088 m   2887 rms  3.38 %NC  46.7     ENERGY    -1.99853E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e   1006665 m   2930 rms  3.38 %NC  46.7     ENERGY    -1.99854E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e   1009947 m   2942 rms  3.38 %NC  46.7     ENERGY    -1.99854E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e   1013701 m   2955 rms  3.38 %NC  46.7     ENERGY    -1.99854E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e   1020270 m   2983 rms  3.39 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e   1052382 m   3081 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e   1072768 m   3148 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e   1140865 m   3201 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      5204 m      1 rms  2.63 %NC  46.7     ENERGY    -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      6239 m      2 rms  2.38 %NC  46.7     ENERGY    -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM  3 e     19250 m      5 rms  3.48 %NC  46.7     ENERGY    -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM  4 e     52275 m     20 rms  2.40 %NC  46.7     ENERGY    -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     64706 m     50 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     77487 m     78 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     77615 m     79 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e     81297 m     90 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e     85227 m    105 rms  2.46 %NC  46.7     ENERGY    -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e     93504 m    136 rms  2.47 %NC  46.7     ENERGY    -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    107153 m    186 rms  2.62 %NC  46.7     ENERGY    -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    132371 m    256 rms  2.30 %NC  46.7     ENERGY    -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    133903 m    259 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    149678 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    153682 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    161523 m    355 rms  2.32 %NC  46.7     ENERGY    -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    162965 m    358 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    184422 m    429 rms  2.52 %NC  53.3     ENERGY    -1.91122E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    184900 m    431 rms  2.56 %NC  46.7     ENERGY    -1.91440E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    209634 m    499 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    235428 m    588 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    241420 m    609 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    254131 m    644 rms  2.28 %NC  46.7     ENERGY    -1.96995E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    264499 m    689 rms  2.32 %NC  46.7     ENERGY    -1.97713E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    294434 m    792 rms  2.55 %NC  46.7     ENERGY    -1.98938E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    313250 m    862 rms  2.55 %NC  46.7     ENERGY    -1.98939E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    316732 m    881 rms  2.55 %NC  46.7     ENERGY    -1.98940E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    336073 m    953 rms  2.55 %NC  46.7     ENERGY    -1.98940E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    365346 m   1047 rms  2.13 %NC  53.3     ENERGY    -1.99546E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    366115 m   1049 rms  2.13 %NC  53.3     ENERGY    -1.99553E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    386587 m   1122 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    390810 m   1133 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    413596 m   1219 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    507866 m   1555 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    568151 m   1766 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    654871 m   1892 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    970185 m   2806 rms  3.28 %NC  46.7     ENERGY    -1.99796E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    987008 m   2864 rms  3.28 %NC  46.7     ENERGY    -1.99801E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    987191 m   2865 rms  3.28 %NC  46.7     ENERGY    -1.99801E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e    993088 m   2887 rms  3.38 %NC  46.7     ENERGY    -1.99853E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e   1006665 m   2930 rms  3.38 %NC  46.7     ENERGY    -1.99854E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e   1009947 m   2942 rms  3.38 %NC  46.7     ENERGY    -1.99854E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e   1013701 m   2955 rms  3.38 %NC  46.7     ENERGY    -1.99854E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e   1020270 m   2983 rms  3.39 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e   1052382 m   3081 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e   1072768 m   3148 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e   1140865 m   3201 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      5204 m      1 rms  2.63 %NC  46.7     ENERGY    -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      6239 m      2 rms  2.38 %NC  46.7     ENERGY    -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM  3 e     19250 m      5 rms  3.48 %NC  46.7     ENERGY    -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM  4 e     52275 m     20 rms  2.40 %NC  46.7     ENERGY    -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     64706 m     50 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     77487 m     78 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     77615 m     79 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e     81297 m     90 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e     85227 m    105 rms  2.46 %NC  46.7     ENERGY    -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e     93504 m    136 rms  2.47 %NC  46.7     ENERGY    -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    107153 m    186 rms  2.62 %NC  46.7     ENERGY    -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    132371 m    256 rms  2.30 %NC  46.7     ENERGY    -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    133903 m    259 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    149678 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    153682 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    161523 m    355 rms  2.32 %NC  46.7     ENERGY    -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    162965 m    358 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    184422 m    429 rms  2.52 %NC  53.3     ENERGY    -1.91122E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    184900 m    431 rms  2.56 %NC  46.7     ENERGY    -1.91440E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    209634 m    499 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    235428 m    588 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    241420 m    609 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    254131 m    644 rms  2.28 %NC  46.7     ENERGY    -1.96995E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    264499 m    689 rms  2.32 %NC  46.7     ENERGY    -1.97713E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    294434 m    792 rms  2.55 %NC  46.7     ENERGY    -1.98938E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    313250 m    862 rms  2.55 %NC  46.7     ENERGY    -1.98939E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    316732 m    881 rms  2.55 %NC  46.7     ENERGY    -1.98940E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    336073 m    953 rms  2.55 %NC  46.7     ENERGY    -1.98940E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    365346 m   1047 rms  2.13 %NC  53.3     ENERGY    -1.99546E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    366115 m   1049 rms  2.13 %NC  53.3     ENERGY    -1.99553E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    386587 m   1122 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    390810 m   1133 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    413596 m   1219 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    507866 m   1555 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    568151 m   1766 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    654871 m   1892 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    970185 m   2806 rms  3.28 %NC  46.7     ENERGY    -1.99796E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    987008 m   2864 rms  3.28 %NC  46.7     ENERGY    -1.99801E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    987191 m   2865 rms  3.28 %NC  46.7     ENERGY    -1.99801E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e    993088 m   2887 rms  3.38 %NC  46.7     ENERGY    -1.99853E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e   1006665 m   2930 rms  3.38 %NC  46.7     ENERGY    -1.99854E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e   1009947 m   2942 rms  3.38 %NC  46.7     ENERGY    -1.99854E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e   1013701 m   2955 rms  3.38 %NC  46.7     ENERGY    -1.99854E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e   1020270 m   2983 rms  3.39 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e   1052382 m   3081 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e   1072768 m   3148 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e   1140865 m   3201 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      5204 m      1 rms  2.63 %NC  46.7     ENERGY    -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      6239 m      2 rms  2.38 %NC  46.7     ENERGY    -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM  3 e     19250 m      5 rms  3.48 %NC  46.7     ENERGY    -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM  4 e     52275 m     20 rms  2.40 %NC  46.7     ENERGY    -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     64706 m     50 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     77487 m     78 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     77615 m     79 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e     81297 m     90 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e     85227 m    105 rms  2.46 %NC  46.7     ENERGY    -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e     93504 m    136 rms  2.47 %NC  46.7     ENERGY    -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    107153 m    186 rms  2.62 %NC  46.7     ENERGY    -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    132371 m    256 rms  2.30 %NC  46.7     ENERGY    -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    133903 m    259 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    149678 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    153682 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    161523 m    355 rms  2.32 %NC  46.7     ENERGY    -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    162965 m    358 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    184422 m    429 rms  2.52 %NC  53.3     ENERGY    -1.91122E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    184900 m    431 rms  2.56 %NC  46.7     ENERGY    -1.91440E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    209634 m    499 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    235428 m    588 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    241420 m    609 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    254131 m    644 rms  2.28 %NC  46.7     ENERGY    -1.96995E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    264499 m    689 rms  2.32 %NC  46.7     ENERGY    -1.97713E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    294434 m    792 rms  2.55 %NC  46.7     ENERGY    -1.98938E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    313250 m    862 rms  2.55 %NC  46.7     ENERGY    -1.98939E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    316732 m    881 rms  2.55 %NC  46.7     ENERGY    -1.98940E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    336073 m    953 rms  2.55 %NC  46.7     ENERGY    -1.98940E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    365346 m   1047 rms  2.13 %NC  53.3     ENERGY    -1.99546E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    366115 m   1049 rms  2.13 %NC  53.3     ENERGY    -1.99553E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    386587 m   1122 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    390810 m   1133 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    413596 m   1219 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    507866 m   1555 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    568151 m   1766 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    654871 m   1892 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    970185 m   2806 rms  3.28 %NC  46.7     ENERGY    -1.99796E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    987008 m   2864 rms  3.28 %NC  46.7     ENERGY    -1.99801E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    987191 m   2865 rms  3.28 %NC  46.7     ENERGY    -1.99801E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e    993088 m   2887 rms  3.38 %NC  46.7     ENERGY    -1.99853E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e   1006665 m   2930 rms  3.38 %NC  46.7     ENERGY    -1.99854E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e   1009947 m   2942 rms  3.38 %NC  46.7     ENERGY    -1.99854E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e   1013701 m   2955 rms  3.38 %NC  46.7     ENERGY    -1.99854E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e   1020270 m   2983 rms  3.39 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e   1052382 m   3081 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e   1072768 m   3148 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e   1140865 m   3201 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02